ChemSpider 2D Image | (2Z)-(2,3,4,4,5,5,6,6,7-~2~H_9_)-2-Octadecenoic acid | C18H25D9O2

(2Z)-(2,3,4,4,5,5,6,6,7-2H9)-2-Octadecenoic acid

  • Molecular FormulaC18H25D9O2
  • Average mass291.517 Da
  • Monoisotopic mass291.312378 Da
  • ChemSpider ID65998812
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2Z)-(2,3,4,4,5,5,6,6,7-2H9)-2-Octadecenoic acid [ACD/IUPAC Name]
(2Z)-(2,3,4,4,5,5,6,6,7-2H9)-2-Octadecensäure [German] [ACD/IUPAC Name]
2-Octadecenoic-2,3,4,4,5,5,6,6,7-d9 acid, (2Z)- [ACD/Index Name]
Acide (2Z)-(2,3,4,4,5,5,6,6,7-2H9)-2-octadécénoïque [French] [ACD/IUPAC Name]
d9-cis-octadecenoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 402.7±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.8±6.0 kJ/mol
Flash Point: 299.1±11.0 °C
Index of Refraction: 1.467
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 8.24
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 50897.00
ACD/KOC (pH 5.5): 43945.88
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 800.21
ACD/KOC (pH 7.4): 690.92
Polar Surface Area: 37 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 313.9±3.0 cm3

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